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Ligand

NameCHEMBL3986990
Molecular formulaC29H36F3N3O2
IUPAC name(3R,4S)-N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-3-(diethylaminomethyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide
Molecular weight515.621
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL15251171
Inchi KeyBLGKCGLKODCYMC-PIIWDFAUSA-N
Inchi IDInChI=1S/C29H36F3N3O2/c1-6-34(7-2)16-28(17-35(26(36)20(28)5)25-18(3)9-8-10-19(25)4)27(37)33-24-14-22(21-11-12-21)13-23(15-24)29(30,31)32/h8-10,13-15,20-21H,6-7,11-12,16-17H2,1-5H3,(H,33,37)/t20-,28-/m1/s1
PubChem CID89799812
ChEMBLCHEMBL3986990
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536682Chemokine-like receptor 1Q99788CMKLR1Homo sapiens (Human)373

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